ITCMDBv1
IngredientID 20073

Germanicol

C30H50O

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Relationship Network

Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.

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Herb: 4Ingredient: 1Target: 3Links: 7
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
20073
Core Entity Id
25490
Source Entity Count
1
Preferred Name
Germanicol
Name En
Pubchem Id
11611623
Smiles Canonical
CC1(CCC2(CCC3(C(C2=C1)CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C)C)C
Molecular Formula
C30H50O
Molecular Weight
426.7290
Inchikey
QMUXVPRGNJLGRT-PNTWTTAKSA-N
Inchi
InChI=1S/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h19-20,22-24,31H,9-18H2,1-8H3/t20-,22+,23-,24+,27-,28+,29-,30-/m1/s1
Isomeric Smiles
C[C@@]12CC[C@@]3([C@@H](C1=CC(CC2)(C)C)CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)C
Cas Id
465-02-1
Ob Score
10.9989
Mol Logp
8.1689
Num H Donors
1
Num H Acceptors
1
Num Rotatable Bonds
0
Drug Likeness
0.3870
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name
Germanicol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Germanicol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Germanicol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Germanicol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Germanicol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(3S,4aR,6aS,6aR,6bR,8aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,9,10,13,14,14a-tetradecahydropicen-3-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(3S,4aR,6aS,6aR,6bR,8aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,9,10,13,14,14a-tetradecahydropicen-3-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
(3S,6aR,6bR,8aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,9,10,13,14,14a-tetradecahydropicen-3-ol
Role
alias
Source
TCMBank
Preferred
No
Name
(3beta)-olean-18-en-3-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(3beta)-olean-18-en-3-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
465-02-1
Role
alias
Source
HERB_v2
Preferred
No
Name
465-02-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
5alpha-olean-18-en-3beta-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
5alpha-olean-18-en-3beta-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
7NEX9512DZ
Role
alias
Source
itcmdb_public
Preferred
No
Name
7NEX9512DZ
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:62455
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:62455
Role
alias
Source
HERB_v2
Preferred
No
Name
MOROL
Role
alias
Source
HERB_v2
Preferred
No
Name
MOROL
Role
alias
Source
itcmdb_public
Preferred
No
Name
Olean-18-en-3-ol, (3beta)-
Role
alias
Source
HERB_v2
Preferred
No
Name
Olean-18-en-3-ol, (3beta)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
germanicol
Role
alias
Source
TCMBank
Preferred
No
Name
olean-18-en-3beta-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
olean-18-en-3beta-ol
Role
alias
Source
itcmdb_public
Preferred
No

Aliases

Additional names normalized into the restored final schema.

(3S,4aR,6aS,6aR,6bR,8aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,9,10,13,14,14a-tetradecahydropicen-3-ol(3S,6aR,6bR,8aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,9,10,13,14,14a-tetradecahydropicen-3-ol(3beta)-olean-18-en-3-ol465-02-15alpha-olean-18-en-3beta-ol7NEX9512DZCHEBI:62455MOROLOlean-18-en-3-ol, (3beta)-olean-18-en-3beta-ol

Cross References

Trusted external identifiers retained for this final record.

Cas
465-02-1
Herb
HBIN027582
Npass
NPC185807
Tcmid
8350
Tcmsp
MOL012434
Sym Map
SMIT13186SMIT15534
Pub Chem
11611623122857
Tcmbank
TCMBANKIN009640
Etcm Ingredient
Germanicol
Itcmdb Generated
ITX-INGREDIENT-243AE1B2306F

Attributes

Merged source attributes and domain-specific metadata.

In Ch I
InChI=1S/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h19-20,22-24,31H,9-18H2,1-8H3/t20-,22+,23-,24+,27-,28+,29-,30-/m1/s1
Mol Wt
426.7290000000002
Cas Id
465-02-1
Smiles
CC1(CCC2(CCC3(C(C2=C1)CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C)C)C
Mol Log P
8.168900000000008
Version
v1,v2
In Ch Ikey
QMUXVPRGNJLGRT-PNTWTTAKSA-N
Ob Score
10.998918910.99891910.999
Suppress
1
Num Hdonors
1
Drug Likeness
0.387
Num Hacceptors
1
Isomeric Smiles
C[C@@]12CC[C@@]3([C@@H](C1=CC(CC2)(C)C)CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)C
Molecule Weight
426.8
Canonical Smiles
CC1(CCC2(CCC3(C(C2=C1)CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C)C)C
Herb Alias Names
465-02-1olean-18-en-3beta-ol(3beta)-olean-18-en-3-ol(3S,4aR,6aS,6aR,6bR,8aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,9,10,13,14,14a-tetradecahydropicen-3-olMOROL5alpha-olean-18-en-3beta-ol7NEX9512DZCHEBI:62455Olean-18-en-3-ol, (3beta)-
Molecular Weight
426.390
Molecular Weight
426.72
Molecule Formula
C30H50O
Molecular Formula
C30H50O
Molecular Formula
C30H50O
Molecular Formula
C30H50O
Num Rotatable Bonds
0
Link Ingredient Id
13186.0
Fda Maximum Daily Dose (Fdamdd)
0.763
Quantitative Estimate Of Drug Likeness（Qed）
0.387