Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 52265
- Core Entity Id
- 95276
- Source Entity Count
- 1
- Preferred Name
- 19α-hydroxyferna-7,9(11)-diene
- Name En
- Pubchem Id
- 162982011
- Smiles Canonical
- CC(C)C1CC(O)C2C1(C)CCC1(C)C3=CCC4C(C)(C)CCCC4(C)C3=CCC21C
- Molecular Formula
- C30H48O
- Molecular Weight
- 424.3700
- Inchikey
- IKBSUPYQHIJKAQ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C30H48O/c1-19(2)22-18-23(31)25-28(22,6)16-17-29(7)21-10-11-24-26(3,4)13-9-14-27(24,5)20(21)12-15-30(25,29)8/h10,12,19,22-25,31H,9,11,13-18H2,1-8H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 8.6000
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 1
- Drug Likeness
- Polar Surface Area
- 20.2000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
19α-Hydroxyferna-7,9(11)-diene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
19α-hydroxyferna-7,9(11)-diene
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN044507
Etcm Ingredient
19α-Hydroxyferna-7,9(11)-diene
Itcmdb Generated
ITX-INGREDIENT-D3B7040BFC95
Attributes
Merged source attributes and domain-specific metadata.
Smiles
CC(C)C1CC(C2C1(CCC3(C2(CC=C4C3=CCC5C4(CCCC5(C)C)C)C)C)C)O
Mol2 Path
/TCM_database/2007_3d_all/10119.mol2
Reference
5187
Molecular Weight
424.370
Molecular Formula
C30H48O
Molecular Formula
C30H48O
Fda Maximum Daily Dose (Fdamdd)
0.723
Quantitative Estimate Of Drug Likeness（Qed）
0.453