Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 34959
- Core Entity Id
- 42045
- Source Entity Count
- 1
- Preferred Name
- Tetradymol
- Name En
- Pubchem Id
- 442401
- Smiles Canonical
- CC1CCCC2(C1(CC3=C(C2)OC=C3C)C)O
- Molecular Formula
- C15H22O2
- Molecular Weight
- 234.3390
- Inchikey
- YGPYHQDJFQOKLN-GLQYFDAESA-N
- Inchi
- InChI=1S/C15H22O2/c1-10-9-17-13-8-15(16)6-4-5-11(2)14(15,3)7-12(10)13/h9,11,16H,4-8H2,1-3H3/t11-,14+,15-/m0/s1
- Isomeric Smiles
- C[C@H]1CCC[C@]2([C@@]1(CC3=C(C2)OC=C3C)C)O
- Cas Id
- Ob Score
- Mol Logp
- 3.2440
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.7470
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Tetradymol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Tetradymol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Tetradymol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Tetradymol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
tetradymol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(4AR,5S,8AS)-3,4A,5-TRIMETHYL-4,5,6,7,8,9-HEXAHYDROBENZO(F)(1)BENZOFURAN-8A-OL
Role
alias
Source
itcmdb_public
Preferred
No
Name
(4AR,5S,8AS)-4,5,6,7,8,9-HEXAHYDRO-3,4A,5-TRIMETHYLNAPHTHO(2,3-B)FURAN-8A(4AH)-OL
Role
alias
Source
HERB_v2
Preferred
No
Name
(4AR,5S,8AS)-4,5,6,7,8,9-HEXAHYDRO-3,4A,5-TRIMETHYLNAPHTHO(2,3-B)FURAN-8A(4AH)-OL
Role
alias
Source
itcmdb_public
Preferred
No
Name
(4aR,5S,8aS)-3,4a,5-trimethyl-4,5,6,7,8,9-hexahydrobenzo[f][1]benzofuran-8a-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
(4aR,5S,8aS)-3,4a,5-trimethyl-4,5,6,7,8,9-hexahydrobenzo[f]benzofuran-8a-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(4aR,5S,8aS)-3,4a,5-trimethyl-4,5,6,7,8,9-hexahydrobenzo[f]benzofuran-8a-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
3,4a,5-trimethyl-4,5,6,7,8,9-hexahydrobenzo[f][1]benzofuran-8a-ol
Role
alias
Source
TCMBank
Preferred
No
Name
52279-13-7
Role
alias
Source
HERB_v2
Preferred
No
Name
52279-13-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
AC1MR4OB
Role
alias
Source
TCMBank
Preferred
No
Name
C09739
Role
alias
Source
HERB_v2
Preferred
No
Name
C09739
Role
alias
Source
itcmdb_public
Preferred
No
Name
MW7Y6S8XRH
Role
alias
Source
itcmdb_public
Preferred
No
Name
MW7Y6S8XRH
Role
alias
Source
HERB_v2
Preferred
No
Name
Naphtho(2,3-b)furan-8a(4aH)-ol, 4,5,6,7,8,9-hexahydro-3,4a,5-trimethyl-, (4aR-(4aalpha,5alpha,8aalpha))-
Role
alias
Source
HERB_v2
Preferred
No
Name
Naphtho(2,3-b)furan-8a(4aH)-ol, 4,5,6,7,8,9-hexahydro-3,4a,5-trimethyl-, (4aR-(4aalpha,5alpha,8aalpha))-
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-MW7Y6S8XRH
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-MW7Y6S8XRH
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(4AR,5S,8AS)-3,4A,5-TRIMETHYL-4,5,6,7,8,9-HEXAHYDROBENZO(F)(1)BENZOFURAN-8A-OL(4AR,5S,8AS)-4,5,6,7,8,9-HEXAHYDRO-3,4A,5-TRIMETHYLNAPHTHO(2,3-B)FURAN-8A(4AH)-OL(4aR,5S,8aS)-3,4a,5-trimethyl-4,5,6,7,8,9-hexahydrobenzo[f][1]benzofuran-8a-ol(4aR,5S,8aS)-3,4a,5-trimethyl-4,5,6,7,8,9-hexahydrobenzo[f]benzofuran-8a-ol3,4a,5-trimethyl-4,5,6,7,8,9-hexahydrobenzo[f][1]benzofuran-8a-ol52279-13-7AC1MR4OBC09739MW7Y6S8XRHNaphtho(2,3-b)furan-8a(4aH)-ol, 4,5,6,7,8,9-hexahydro-3,4a,5-trimethyl-, (4aR-(4aalpha,5alpha,8aalpha))-UNII-MW7Y6S8XRH
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN046049
Npass
NPC232330
Tcmid
21035
Sym Map
SMIT17890
Pub Chem
442401
Tcmbank
TCMBANKIN004264
Etcm Ingredient
Tetradymol
Itcmdb Generated
ITX-INGREDIENT-F710DCEBDCE3
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H22O2/c1-10-9-17-13-8-15(16)6-4-5-11(2)14(15,3)7-12(10)13/h9,11,16H,4-8H2,1-3H3/t11-,14+,15-/m0/s1
Mol Wt
234.339
Smiles
CC1CCCC2(C1(CC3=C(C2)OC=C3C)C)O
Mol Log P
3.244020000000002
Version
v1,v2
In Ch Ikey
YGPYHQDJFQOKLN-GLQYFDAESA-N
Suppress
0
Num Hdonors
1
Drug Likeness
0.747
Num Hacceptors
2
Isomeric Smiles
C[C@H]1CCC[C@]2([C@@]1(CC3=C(C2)OC=C3C)C)O
Canonical Smiles
CC1CCCC2(C1(CC3=C(C2)OC=C3C)C)O
Herb Alias Names
52279-13-7MW7Y6S8XRH(4aR,5S,8aS)-3,4a,5-trimethyl-4,5,6,7,8,9-hexahydrobenzo[f][1]benzofuran-8a-olUNII-MW7Y6S8XRHNaphtho(2,3-b)furan-8a(4aH)-ol, 4,5,6,7,8,9-hexahydro-3,4a,5-trimethyl-, (4aR-(4aalpha,5alpha,8aalpha))-C09739(4AR,5S,8AS)-3,4A,5-TRIMETHYL-4,5,6,7,8,9-HEXAHYDROBENZO(F)(1)BENZOFURAN-8A-OL(4aR,5S,8aS)-3,4a,5-trimethyl-4,5,6,7,8,9-hexahydrobenzo[f]benzofuran-8a-ol(4AR,5S,8AS)-4,5,6,7,8,9-HEXAHYDRO-3,4A,5-TRIMETHYLNAPHTHO(2,3-B)FURAN-8A(4AH)-OL
Molecular Weight
234.160
Molecular Weight
234.33 g/mol
Molecular Formula
C15H22O2
Molecular Formula
C15H22O2
Molecular Formula
C15H22O2
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.153
Quantitative Estimate Of Drug Likeness（Qed）
0.747