Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00640
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| Drug Name |
Sesquiterpene
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| Synonyms |
3,6-Methano-8H-1,5,7-trioxacyclopenta(ij)cycloprop(a)azulene-4,8(3H)-dione, hexahydro-2a-hydroxy-9-(1-hydroxy-1-methylethyl)-8b-methyl-, (1aR-(1aalpha,2abeta,3beta,6beta,6abeta,8aS*,8bbeta,9S*))-, compd. with (1aR-(1aalpha,2abeta,3beta,6beta,6; 3,6-Methano-8H-1,5,7-trioxacyclopenta[ij]cycloprop[a]azulene-4,8(3H)-dione, hexahydro-2a-hydroxy-9-(1-hydroxy-1-methylethyl)-8b-methyl-, (1aR,2aR,3S,6R,6aS,8aS,8bR,9S)-& (1aR,2aR,3S,6R,6aS,8aS,8bR,9R; 3,6-Methano-8H-1,5,7-trioxacyclopenta[ij]cycloprop[a]azulene-4,8(3H)-dione, hexahydro-2a-hydroxy-9-(1-hydroxy-1-methylethyl)-8b-methyl-, [1aR-(1a.alpha.,2; Cocculin; Cocculus; Coques du levant; Coques du levant [French];Fish berry; Indian berry; Oriental berry; P 1675; Picrotin, compd. with picrotoxinin (1:1); Picrotin, compound with picrotoxinin (1:1); Picrotin-Picrotoxinin; Picrotox; Picrotoxin (Compound of one mole Picrotoxinin and one mole Picrotin); Picrotoxine; Picrotoxinin, compd. with picrotin (1:1); Picrotoxinin-picrotin; Picrotoxinum; Sesquiterpene
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| Drug Type |
Small molecular drug
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| Therapeutic Class |
Central Nervous System Stimulants
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| Structure |
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| 3D MOL | 2D MOL | |||||
| Formula |
C30H34O13
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| Canonical SMILES |
CC(=C)C1C2C3C4(C(C1C(=O)O2)(CC5C4(O5)C(=O)O3)O)C.CC12C3C4C(C(C1(CC5C2(O5)C(=O)O3)O)C(=O)O4)C(C)(C)O
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| InChI |
InChI=1S/C15H18O7.C15H16O6/c1-12(2,18)6-7-10(16)20-8(6)9-13(3)14(7,19)4-5-15(13,22-5)11(17)21-9;1-5(2)7-8-11(16)19-9(7)10-13(3)14(8,18)4-6-15(13,21-6)12(17)20-10/h5-9,18-19H,4H2,1-3H3;6-10,18H,1,4H2,2-3H3/t5-,6+,7?,8?,9-,13-,14-,15+;6?,7-,8?,9?,10+,13+,14+,15-/m10/s1
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| InChIKey |
VJKUPQSHOVKBCO-ZTYBEOBUSA-N
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| CAS Number |
CAS 124-87-8
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| Pharmaceutical Properties | Molecular Weight | 602.6 | Topological Polar Surface Area | 191 | ||
| Heavy Atom Count | 43 | Rotatable Bond Count | 2 | |||
| Hydrogen Bond Donor Count | 3 | Hydrogen Bond Acceptor Count | 13 | |||
| PubChem CID | ||||||
| PubChem SID | ||||||
| TTD Drug ID | ||||||
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