Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 8Links: 17
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 3907
- Core Entity Id
- 7530
- Source Entity Count
- 1
- Preferred Name
- 3beta,12-dihydroxy-13-methyl-8,10,13-podo-carpanetriene
- Name En
- Pubchem Id
- 12096384
- Smiles Canonical
- CC1=CC2=C(C=C1O)C3(CCC(C(C3CC2)(C)C)O)C
- Molecular Formula
- C18H26O2
- Molecular Weight
- 274.4040
- Inchikey
- ULORBDMEFAYHRJ-XYJFISCASA-N
- Inchi
- InChI=1S/C18H26O2/c1-11-9-12-5-6-15-17(2,3)16(20)7-8-18(15,4)13(12)10-14(11)19/h9-10,15-16,19-20H,5-8H2,1-4H3/t15-,16-,18+/m0/s1
- Isomeric Smiles
- CC1=CC2=C(C=C1O)[C@]3(CC[C@@H](C([C@@H]3CC2)(C)C)O)C
- Cas Id
- Ob Score
- Mol Logp
- 3.7016
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.7570
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3-beta,12-Dihydroxy-13-methyl-8,10,13-podocarpanetriene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
3beta,12-dihydroxy-13-methyl-8,10,13-podo-carpanetriene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3beta,12-dihydroxy-13-methyl-8,10,13-podo-carpanetriene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
13-Methyl-8,11,13-podocarpatriene-3,12-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
13-Methyl-8,11,13-podocarpatriene-3,12-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
769140-74-1
Role
alias
Source
HERB_v2
Preferred
No
Name
769140-74-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS040760934
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040760934
Role
alias
Source
itcmdb_public
Preferred
No
Name
BDBM50194241
Role
alias
Source
HERB_v2
Preferred
No
Name
BDBM50194241
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL3902383
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL3902383
Role
alias
Source
itcmdb_public
Preferred
No
Name
CS-0016305
Role
alias
Source
HERB_v2
Preferred
No
Name
CS-0016305
Role
alias
Source
itcmdb_public
Preferred
No
Name
FS-9025
Role
alias
Source
HERB_v2
Preferred
No
Name
FS-9025
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-N1041
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-N1041
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
3-beta,12-Dihydroxy-13-methyl-8,10,13-podocarpanetriene13-Methyl-8,11,13-podocarpatriene-3,12-diol769140-74-1AKOS040760934BDBM50194241CHEMBL3902383CS-0016305FS-9025HY-N1041
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN008011
Npass
NPC91276
Tcmid
6042
Pub Chem
12096384
Etcm Ingredient
3-beta,12-Dihydroxy-13-methyl-8,10,13-podocarpanetriene
Itcmdb Generated
ITX-INGREDIENT-09816D1160A4
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C18H26O2/c1-11-9-12-5-6-15-17(2,3)16(20)7-8-18(15,4)13(12)10-14(11)19/h9-10,15-16,19-20H,5-8H2,1-4H3/t15-,16-,18+/m0/s1
Mol Wt
274.4039999999999
Mol Log P
3.701620000000003
In Ch Ikey
ULORBDMEFAYHRJ-XYJFISCASA-N
Num Hdonors
2
Drug Likeness
0.757
Num Hacceptors
2
Isomeric Smiles
CC1=CC2=C(C=C1O)[C@]3(CC[C@@H](C([C@@H]3CC2)(C)C)O)C
Canonical Smiles
CC1=CC2=C(C=C1O)C3(CCC(C(C3CC2)(C)C)O)C
Herb Alias Names
13-Methyl-8,11,13-podocarpatriene-3,12-diol769140-74-1CHEMBL3902383HY-N1041BDBM50194241AKOS040760934FS-9025CS-0016305
Molecular Weight
274.190
Molecular Formula
C18H26O2
Molecular Formula
C18H26O2
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.970
Quantitative Estimate Of Drug Likeness（Qed）
0.757