Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 3Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 1024
- Core Entity Id
- 4333
- Source Entity Count
- 1
- Preferred Name
- 2,5-dihydroxybisabola-3,10-diene
- Name En
- Pubchem Id
- 157009920
- Smiles Canonical
- CC1=CC(C(CC1O)C(C)CCC=C(C)C)O
- Molecular Formula
- C15H26O2
- Molecular Weight
- 238.3710
- Inchikey
- FPSDOHYYKFXKFR-CQFAYMELSA-N
- Inchi
- InChI=1S/C15H26O2/c1-10(2)6-5-7-11(3)13-9-14(16)12(4)8-15(13)17/h6,8,11,13-17H,5,7,9H2,1-4H3/t11-,13?,14+,15+/m0/s1
- Isomeric Smiles
- CC1=C[C@H](C(C[C@H]1O)[C@@H](C)CCC=C(C)C)O
- Cas Id
- Ob Score
- 23.6030
- Mol Logp
- 3.0569
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.7390
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2,5-Dihydroxybisabola-3,10-Diene
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
2,5-Dihydroxybisabola-3,10-Diene
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2,5-dihydroxybisabola-3,10-diene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2,5-dihydroxybisabola-3,10-diene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2,5-dihydroxybisabola-3,10-diene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2,5-dihydroxybisabola-3,10-diene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN004634
Tcmsp
MOL000958
Sym Map
SMIT03447
Pub Chem
157009920
Tcmbank
TCMBANKIN025927
Etcm Ingredient
2,5-dihydroxybisabola-3,10-diene
Itcmdb Generated
ITX-INGREDIENT-7978474A4B4F
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H26O2/c1-10(2)6-5-7-11(3)13-9-14(16)12(4)8-15(13)17/h6,8,11,13-17H,5,7,9H2,1-4H3/t11-,13?,14+,15+/m0/s1
Mol Wt
238.371
Mol Log P
3.056900000000002
Version
v1,v2
In Ch Ikey
FPSDOHYYKFXKFR-CQFAYMELSA-N
Ob Score
23.60323.6031518323.603152
Suppress
0
Num Hdonors
2
Drug Likeness
0.739
Num Hacceptors
2
Isomeric Smiles
CC1=C[C@H](C(C[C@H]1O)[C@@H](C)CCC=C(C)C)O
Molecule Weight
224.38
Canonical Smiles
CC1=CC(C(CC1O)C(C)CCC=C(C)C)O
Molecular Weight
224.180
Molecular Weight
224.38
Molecular Formula
C14H24O2
Molecular Formula
C15H26O2
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.070
Quantitative Estimate Of Drug Likeness（Qed）
0.721