Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 2Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 1299
- Core Entity Id
- 4637
- Source Entity Count
- 1
- Preferred Name
- 26-hydroxy-dammara-20,24-dien-3-one
- Name En
- Pubchem Id
- 5318180
- Smiles Canonical
- CC(=CCCC(=C)C1CCC2(C1CCC3C2(CCC4C3(CCC(=O)C4(C)C)C)C)C)CO
- Molecular Formula
- C30H48O2
- Molecular Weight
- 440.7120
- Inchikey
- GQNLRMVMODTKOO-YUICVKHOSA-N
- Inchi
- InChI=1S/C30H48O2/c1-20(19-31)9-8-10-21(2)22-13-17-29(6)23(22)11-12-25-28(5)16-15-26(32)27(3,4)24(28)14-18-30(25,29)7/h9,22-25,31H,2,8,10-19H2,1,3-7H3/b20-9+/t22?,23?,24?,25?,28-,29?,30+/m0/s1
- Isomeric Smiles
- C/C(=C\CCC(=C)C1CCC2(C1CCC3[C@]2(CCC4[C@@]3(CCC(=O)C4(C)C)C)C)C)/CO
- Cas Id
- Ob Score
- 44.4130
- Mol Logp
- 7.5156
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.4490
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
26-Hydroxy-Dammara-20,24-Dien-3-One
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
26-Hydroxy-dammara-20,24-dien-3-one
Role
preferred
Source
TCMBank
Preferred
Yes
Name
26-Hydroxy-dammara-20,24-dien-3-one
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
26-hydroxy-dammara-20,24-dien-3-one
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
26-hydroxy-dammara-20,24-dien-3-one
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(8R,10R)-17-[(5E)-7-hydroxy-6-methylhepta-1,5-dien-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
TCMBank
Preferred
No
Name
26-hydroxy-dammara-20,24-dien-3-one
Role
alias
Source
TCMBank
Preferred
No
Name
AC1NSWH2
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(8R,10R)-17-[(5E)-7-hydroxy-6-methylhepta-1,5-dien-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-oneAC1NSWH2
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN004953
Npass
NPC273323
Tcmid
9956
Tcmsp
MOL003850
Sym Map
SMIT00970
Pub Chem
5318180
Tcmbank
TCMBANKIN017592
Etcm Ingredient
26-Hydroxy-dammara-20,24-dien-3-one
Itcmdb Generated
ITX-INGREDIENT-88B67ED7ADD1
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C30H48O2/c1-20(19-31)9-8-10-21(2)22-13-17-29(6)23(22)11-12-25-28(5)16-15-26(32)27(3,4)24(28)14-18-30(25,29)7/h9,22-25,31H,2,8,10-19H2,1,3-7H3/b20-9+/t22?,23?,24?,25?,28-,29?,30+/m0/s1
Mol Wt
440.7120000000003
Smiles
CC(=CCCC(=C)C1CCC2(C1CCC3C2(CCC4C3(CCC(=O)C4(C)C)C)C)C)CO
Mol Log P
7.51560000000001
Version
v1,v2
In Ch Ikey
GQNLRMVMODTKOO-YUICVKHOSA-N
Ob Score
44.4129887744.41298944.413
Suppress
0
Num Hdonors
1
Drug Likeness
0.449
Num Hacceptors
2
Isomeric Smiles
C/C(=C\CCC(=C)C1CCC2(C1CCC3[C@]2(CCC4[C@@]3(CCC(=O)C4(C)C)C)C)C)/CO
Molecule Weight
440.78
Canonical Smiles
CC(=CCCC(=C)C1CCC2(C1CCC3C2(CCC4C3(CCC(=O)C4(C)C)C)C)C)CO
Molecular Weight
440.370
Molecular Weight
440.78
Molecule Formula
C30H48O2
Molecular Formula
C30H48O2
Molecular Formula
C30H48O2
Molecular Formula
C30H48O2
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.914
Quantitative Estimate Of Drug Likeness（Qed）
0.449