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
- 39157
- Core Entity Id
- 71187
- Source Entity Count
- 1
- Preferred Name
- 19alpha-hydroxyferna-7,9(11)-diene
- Name En
- Pubchem Id
- 102023953
- Smiles Canonical
- CC(C)C1CC(C2C1(CCC3(C2(CC=C4C3=CCC5C4(CCCC5(C)C)C)C)C)C)O
- Molecular Formula
- C30H48O
- Molecular Weight
- 424.7130
- Inchikey
- IKBSUPYQHIJKAQ-ORHVTZAJSA-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/t22-,23-,24+,25-,27-,28-,29-,30+/m1/s1
- Isomeric Smiles
- CC(C)[C@H]1C[C@H]([C@@H]2[C@@]1(CC[C@]3([C@]2(CC=C4C3=CC[C@@H]5[C@@]4(CCCC5(C)C)C)C)C)C)O
- Cas Id
- Ob Score
- Mol Logp
- 7.9449
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.4530
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
19-alpha-Hydroxyferna-7,9(11)-diene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
19alpha-hydroxyferna-7,9(11)-diene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
19alpha-hydroxyferna-7,9(11)-diene
Role
preferred
Source
HERB_v2
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
19-alpha-Hydroxyferna-7,9(11)-diene
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN002171
Tcmid
10118
Pub Chem
102023953
Etcm Ingredient
19-alpha-Hydroxyferna-7,9(11)-diene
Itcmdb Generated
ITX-INGREDIENT-1770BC3FEAF4
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
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/t22-,23-,24+,25-,27-,28-,29-,30+/m1/s1
Mol Wt
424.7130000000002
Mol Log P
7.944900000000008
In Ch Ikey
IKBSUPYQHIJKAQ-ORHVTZAJSA-N
Num Hdonors
1
Drug Likeness
0.453
Num Hacceptors
1
Isomeric Smiles
CC(C)[C@H]1C[C@H]([C@@H]2[C@@]1(CC[C@]3([C@]2(CC=C4C3=CC[C@@H]5[C@@]4(CCCC5(C)C)C)C)C)C)O
Canonical Smiles
CC(C)C1CC(C2C1(CCC3(C2(CC=C4C3=CCC5C4(CCCC5(C)C)C)C)C)C)O
Molecular Weight
424.370
Molecular Formula
C30H48O
Molecular Formula
C30H48O
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.627
Quantitative Estimate Of Drug Likeness（Qed）
0.453