Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 6Ingredient: 1Target: 2Links: 8
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 17412
- Core Entity Id
- 22522
- Source Entity Count
- 1
- Preferred Name
- Dipterocarpol
- Name En
- Pubchem Id
- 118701190
- Smiles Canonical
- CC(=CCCC(C)(C1CCC2(C1CCC3C2(CCC4C3(CCC(=O)C4(C)C)C)C)C)O)C
- Molecular Formula
- C30H50O2
- Molecular Weight
- 442.7280
- Inchikey
- NJICGAVMYWKCMW-GWJXCKMPSA-N
- Inchi
- InChI=1S/C30H50O2/c1-20(2)10-9-16-30(8,32)22-13-18-28(6)21(22)11-12-24-27(5)17-15-25(31)26(3,4)23(27)14-19-29(24,28)7/h10,21-24,32H,9,11-19H2,1-8H3/t21-,22+,23+,24-,27+,28-,29-,30+/m1/s1
- Isomeric Smiles
- CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1CC[C@H]3[C@]2(CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C)O)C
- Cas Id
- 471-69-2
- Ob Score
- 41.7080
- Mol Logp
- 7.7380
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.4520
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Dipterocarpol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Dipterocarpol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Dipterocarpol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Dipterocarpol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
dipterocarpol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(5R,8R,9R,10R,13R,14R,17S)-17-((2S)-2-hydroxy-6-methylhept-5-en-2-yl)-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta(a)phenanthren-3-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(5R,8R,9R,10R,13R,14R,17S)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Role
alias
Source
HERB_v2
Preferred
No
Name
20-Hydroxydammar-24-en-3-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
20-Hydroxydammar-24-en-3-one
Role
alias
Source
HERB_v2
Preferred
No
Name
471-69-2
Role
alias
Source
HERB_v2
Preferred
No
Name
471-69-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:4652
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:4652
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL224816
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL224816
Role
alias
Source
HERB_v2
Preferred
No
Name
Dipterocarpol, 98%
Role
alias
Source
itcmdb_public
Preferred
No
Name
Dipterocarpol, 98%
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL14226155
Role
alias
Source
TCMBank
Preferred
No
Name
SCHEMBL2474520
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL2474520
Role
alias
Source
HERB_v2
Preferred
No
Name
hydroxydammarenone II
Role
alias
Source
itcmdb_public
Preferred
No
Name
hydroxydammarenone II
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(5R,8R,9R,10R,13R,14R,17S)-17-((2S)-2-hydroxy-6-methylhept-5-en-2-yl)-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta(a)phenanthren-3-one(5R,8R,9R,10R,13R,14R,17S)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one20-Hydroxydammar-24-en-3-one471-69-2CHEBI:4652CHEMBL224816Dipterocarpol, 98%SCHEMBL14226155SCHEMBL2474520hydroxydammarenone II
Cross References
Trusted external identifiers retained for this final record.
Cas
471-69-2
Herb
HBIN024234
Tcmid
6501
Tcmsp
MOL006865
Sym Map
SMIT00664
Pub Chem
11870119014571225042207884416764503358546637790472508
Tcmbank
TCMBANKIN005774
Etcm Ingredient
Dipterocarpol
Itcmdb Generated
ITX-INGREDIENT-016E158D591A
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C30H50O2/c1-20(2)10-9-16-30(8,32)22-13-18-28(6)21(22)11-12-24-27(5)17-15-25(31)26(3,4)23(27)14-19-29(24,28)7/h10,21-24,32H,9,11-19H2,1-8H3/t21-,22+,23+,24-,27+,28-,29-,30+/m1/s1
Mol Wt
442.7280000000003
Cas Id
471-69-2
Smiles
CC(=CCCC(C)(C1CCC2(C1CCC3C2(CCC4C3(CCC(=O)C4(C)C)C)C)C)O)C
Mol Log P
7.73800000000001
Version
v1,v2
In Ch Ikey
NJICGAVMYWKCMW-GWJXCKMPSA-N
Ob Score
41.70841.708061
Suppress
0
Num Hdonors
1
Drug Likeness
0.452
Num Hacceptors
2
Isomeric Smiles
CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1CC[C@H]3[C@]2(CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C)O)C
Molecule Weight
442.8
Canonical Smiles
CC(=CCCC(C)(C1CCC2(C1CCC3C2(CCC4C3(CCC(=O)C4(C)C)C)C)C)O)C
Herb Alias Names
471-69-2hydroxydammarenone II(5R,8R,9R,10R,13R,14R,17S)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-oneCHEBI:465220-Hydroxydammar-24-en-3-one(5R,8R,9R,10R,13R,14R,17S)-17-((2S)-2-hydroxy-6-methylhept-5-en-2-yl)-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta(a)phenanthren-3-oneDipterocarpol, 98%CHEMBL224816SCHEMBL2474520
Molecular Weight
442.380
Molecular Weight
442.72
Molecule Formula
C30H50O2
Molecular Formula
C30H50O2
Molecular Formula
C30H50O2
Molecular Formula
C30H50O2
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.581
Quantitative Estimate Of Drug Likeness（Qed）
0.452